[2-bromanyl-5-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-propyl-azanium

Systemtic Name: [2-bromanyl-5-methoxy-4-[2-oxidanylidene-2-(phenethylamino)ethoxy]phenyl]methyl-propyl-azanium Openeye Name: [2-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propyl-ammonium CAS Name: [2-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propylammonium IUPAC Name: [2-bromo-5-methoxy-4-[2-oxo-2-(phenethylamino)ethoxy]phenyl]methyl-propylazanium Traditional Name: [2-bromo-4-[2-keto-2-(phenethylamino)ethoxy]-5-methoxy-benzyl]-propyl-ammonium Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C=C1Br)OCC(=O)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H27BrN2O3/c1-3-10-23-14-17-12-19(26-2)20(13-18(17)22)27-15-21(25)24-11-9-16-7-5-4-6-8-16/h4-8,12-13,23H,3,9-11,14-15H2,1-2H3,(H,24,25)/p+1